REMARK Name = BDB010921 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.798 2.460 0.288 0.00 0.00 -0.196 N ATOM 2 C LIG 1 -0.069 1.308 -0.043 0.00 0.00 +0.280 A ATOM 3 O LIG 1 -0.414 0.140 0.135 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 1.261 1.526 -0.652 0.00 0.00 +0.051 A ATOM 5 C LIG 1 1.764 2.813 -0.793 0.00 0.00 +0.019 A ATOM 6 C LIG 1 3.026 3.005 -1.371 0.00 0.00 +0.011 A ATOM 7 C LIG 1 3.773 1.906 -1.805 0.00 0.00 +0.005 A ATOM 8 C LIG 1 3.277 0.604 -1.667 0.00 0.00 -0.033 A ATOM 9 C LIG 1 0.917 3.919 -0.311 0.00 0.00 +0.172 A ATOM 10 C LIG 1 2.015 0.423 -1.087 0.00 0.00 +0.019 A ATOM 11 N LIG 1 -0.270 3.729 0.182 0.00 0.00 -0.159 NA ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.258 1.236 1.331 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -2.946 1.287 0.800 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -2.141 2.441 0.813 0.00 0.00 +0.070 A ATOM 15 C LIG 1 -2.706 3.605 1.356 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -3.993 3.603 1.890 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.748 2.433 1.883 0.00 0.00 +0.005 A BRANCH 12 21 ATOM 18 C LIG 1 -6.809 -1.451 -1.476 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -5.944 -0.539 -0.629 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -6.575 0.005 0.674 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -5.149 -0.109 1.339 0.00 0.00 +0.056 C ATOM 22 C LIG 1 -4.888 -1.227 0.265 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 -5.201 -0.697 2.805 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -4.165 -1.229 3.524 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -2.793 -1.381 3.124 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -4.690 -1.591 4.726 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -5.968 -1.296 4.755 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -6.290 -0.726 3.546 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 9 29 ATOM 29 C LIG 1 1.463 5.339 -0.401 0.00 0.00 +0.436 C ATOM 30 F LIG 1 0.614 6.279 0.092 0.00 0.00 -0.164 F ATOM 31 F LIG 1 2.630 5.481 0.287 0.00 0.00 -0.164 F ATOM 32 F LIG 1 1.732 5.703 -1.686 0.00 0.00 -0.164 F ENDBRANCH 9 29 BRANCH 8 33 ATOM 33 C LIG 1 4.086 -0.586 -2.146 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 5.401 -0.682 -1.494 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.296 -1.609 -2.205 0.00 0.00 +0.088 C ATOM 36 C LIG 1 5.931 -3.094 -2.032 0.00 0.00 +0.000 C ATOM 37 C LIG 1 6.946 -3.986 -2.746 0.00 0.00 +0.009 C ATOM 38 C LIG 1 5.847 -3.455 -0.545 0.00 0.00 +0.006 C ATOM 39 C LIG 1 4.933 -2.488 0.201 0.00 0.00 +0.016 C ATOM 40 C LIG 1 5.325 -1.033 -0.068 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6